1-[8-(4-ethanoylpiperazin-1-yl)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[8-(4-ethanoylpiperazin-1-yl)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[8-(4-acetylpiperazin-1-yl)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[8-(4-acetyl-1-piperazinyl)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[8-(4-acetylpiperazin-1-yl)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[8-(4-acetylpiperazino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-7-propyl-xanthine Formula: C24H36N6O4 MolecularWeight: 472.58044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN3CCN(CC3)C(=O)C)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN3CCN(CC3)C(=O)C)O

InChI

InChI=1S/C24H36N6O4/c1-5-11-29-18-25-21-20(29)22(32)30(23(33)26(21)4)13-7-6-9-24(3,34)10-8-12-27-14-16-28(17-15-27)19(2)31/h18,34H,5-7,9,11-17H2,1-4H3